1 Department of Molecular Biology, University of California San Diego, La Jolla, CA, USA.
2 Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden.
3 Laufer Center for Physical and Quantitative Biology, Stony Brook University, Stony Brook, NY, USA.
4 Department of Biochemistry and Cell Biology, Renaissance School of Medicine, Stony Brook University, Stony Brook, NY, USA.
5 Department of Biochemistry and Molecular Biomedicine, University of Barcelona, Barcelona, Spain.
6 European Molecular Biology Laboratory, European Bioinformatics Institute, Hinxton, UK.
7 Institute for Research in Biomedicine (IRB Barcelona), Barcelona, Spain.
8 Structural Bioinformatics and Computational Biochemistry, Department of Biochemistry, University of Oxford, Oxford, UK.
9 Institut Pasteur, Université Paris Cité, CNRS UMR 3528, Computational Structural Biology Unit, Paris, France.
10 Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, PA, USA.
11 Division of Pharmacy and Optometry, University of Manchester, Manchester, UK.
12 Scuola Internazionale Superiore di Studi Avanzati-SISSA, Trieste, Italy.
13 Computational Biomedicine, Institute of Advanced Simulations IAS-5/Institute for Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, Jülich, Germany.
14 Department of Physics and Universitätsklinikum, RWTH Aachen University, Aachen, Germany.
15 Department of Chemistry & Chemical Biology, Rutgers University, Piscataway, NJ, USA.
16 Istituto Italiano di Tecnologia, Drug Discovery and Development, Bologna, Italy.
17 Centre Européen de Calcul Atomique et Moléculaire (CECAM), Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland.
18 Department of Chemistry, University of California, Riverside, CA, USA.
19 Department of Medicinal Chemistry, College of Pharmacy, University of Utah, Salt Lake City, UT, USA.
20 Department of Physics, University of Washington, Seattle, Washington, USA.
21 Pacific Northwest National Laboratory, Richland, Washington, USA.
22 LIA CNRS-UIUC, UMR 7019, Université de Lorraine, Vandœuvre-lès-Nancy, France.
23 Department of Physics, University of Illinois at Urbana-Champaign, Urbana, IL, USA.
24 Department of Biochemistry and Molecular Biology, The University of Chicago, Chicago, IL, USA.
25 Department of Chemistry, University of Pittsburgh, Pittsburgh, PA, USA.
26 Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson, TX, USA.
27 Department of Physics, University of Texas at Dallas, Richardson, TX, USA.
28 Theoretical and Computational Biophysics, Department of Physics, Freie Universität Berlin, Berlin, Germany.
29 Maxwell Centre, Cavendish Laboratory, Department of Physics, University of Cambridge, Cambridge, UK.
30 Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge, UK.
31 Department of Genetics, University of Cambridge, Cambridge, UK.
32 Centre for Computational Science, University College London, London, UK.
33 Institute for Informatics, University of Amsterdam, Amsterdam, Netherlands.
34 Institute of Computer Science, Goethe University Frankfurt, Frankfurt am Main, Germany.
35 Frankfurt Institute for Advanced Studies, Frankfurt am Main, Germany.
36 Molecular Sciences Software Institute, Blacksburg, VA, USA.
37 Department of Chemistry, Virginia Tech, Blacksburg, VA, USA.
38 Institute of Bioengineering, School of Life Sciences, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland.
39 Computational Biomolecular Dynamics Group, Department of Theoretical and Computational Biophysics, Max Planck Institute for Multidisciplinary Sciences, Göttingen, Germany.
40 Department of Applied Physics, Science for Life Laboratory, KTH Royal Institute of Technology, Solna, Sweden.
41 Laboratory of Molecular Modelling & Drug Discovery, Istituto Italiano di Tecnologia, Genoa, Italy.
42 School of Chemistry and Chemical Engineering, University of Southampton, Southampton, UK.
43 Institute of Structural and Molecular Biology, University College London, London, UK.
44 Department of Chemistry, University of Minnesota, Minneapolis, MN, USA.
45 Barcelona Supercomputing Center (BSC), Barcelona, Spain.
46 Pharmaceutical Sciences, University of Geneva, Geneva, Switzerland.
47 Institute of Pharmaceutical Sciences of Western Switzerland, Geneva, Switzerland.
48 Chemistry Department, University College London, London, UK.
49 Swiss Bioinformatics Institute, Geneva, Switzerland.
50 Center for Bioinformatics and Integrative Biology (CBIB), Facultad Ciencias de la Vida, Universidad Andrés Bello, Santiago, Chile.
51 Department of Theoretical and Computational Biophysics, Max-Planck-Institute for Multidisciplinary Sciences, Göttingen, Germany.
52 Department of Chemistry and Biochemistry, University of Oregon, Eugene, OR, USA.
53 Institut de Ciència de Materials de Barcelona, CSIC, Barcelona, Spain.
54 School of Physics and Astronomy, University of Sheffield, Sheffield, UK.
55 Pitzer Theory Center and Departments of Chemistry, Bioengineering, Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, CA, USA.
56 Department of Chemistry, Johns Hopkins University, Baltimore, MD, USA.
57 Institute for Research in Biomedicine (IRB Barcelona), Barcelona, Spain. adam.hospital@irbbarcelona.org.
58 Spanish National Institute of Bioinformatics (INB)/ELIXIR-ES, Barcelona, Spain. adam.hospital@irbbarcelona.org.
59 National Institute of Biological Sciences, Beijing, China.
60 Department of Chemistry, Data Science Institute, University of Wisconsin-Madison, Madison, WI, USA.
61 Department of Theoretical Biophysics, Max Planck Institute of Biophysics, Frankfurt am Main, Germany.
62 Institute for Biophysics, Goethe University Frankfurt, Frankfurt am Main, Germany.
63 NBD | Nostrum Biodiscovery, Barcelona, Spain.
64 Department of Chemistry, University of Copenhagen, Copenhagen, Denmark.
65 Department of Electrical and Computer Engineering, Rutgers University, New Brunswick, NJ, USA.
66 Ferrier Research Institute, Victoria University of Wellington, Wellington, New Zealand.
67 Department of Chemistry, Yale University, New Haven, CT, USA.
68 Department of Chemistry, Lund University, Lund, Sweden.
69 School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA, USA.
70 School of Pharmacy and Centre for Biomolecular Sciences, University of Nottingham, Nottingham, UK.
71 Department of Structural Biology, Stanford University School of Medicine, Stanford, CA, USA.
72 Euler Institute, Faculty of Biomedical Sciences, Università della Svizzera italiana (USI), Lugano, Switzerland.
73 Department of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University, Solna, Sweden.
74 Structural Biology and NMR Laboratory & the Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen, Denmark.
75 Department of Chemistry, College of Staten Island, The City University of New York, New York, NY, USA.
76 College of Pharmacy, Western University of Health Sciences, Pomona, CA, USA.
77 Institute of Biomedicine, University of Barcelona, Santa Coloma de Gramanet, Spain.
78 Institute of Theoretical and Computational Chemistry, University of Barcelona, Santa Coloma de Gramanet, Spain.
79 Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, MD, USA.
80 National Research Council-Institute of Material Foundry at Scuola Internazionale Superiore di Studi Avanzati (SISSA), Trieste, Italy.
81 Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, the Netherlands.
82 Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA, USA.
83 Department of Pharmacology, University of California, San Diego, La Jolla, CA, USA.
84 Lerner Research Institute Cleveland Clinic, Cleveland, OH, USA.
85 Department of Chemistry, Michigan State University, East Lansing, MI, USA.
86 BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, Castellón, Spain.
87 Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, UK.
88 Department of Chemical and Biological Engineering, Illinois Institute of Technology, Chicago, IL, USA.
89 Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai, India.
90 Department of Biomedical and Chemical Engineering, Syracuse University, Syracuse, NY, USA.
91 Department of Physics, Freie Universität Berlin, Berlin, Germany.
92 Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin, Germany.
93 Department of Chemistry, Rice University, Houston, TX, USA.
94 Microsoft Research AI4Science, Berlin, Germany.
95 School of Physics, Engineering and Technology, University of York, York, UK.
96 Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Budapest, Hungary.
97 Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, Brisbane, Queensland, Australia.
98 Department of Chemistry and Chemical Biology, Northeastern University, Boston, MA, USA.
99 Center for Theoretical Biological Physics, Rice University, Houston, TX, USA.
100 Department of Physics and Astronomy, Rice University, Houston, TX, USA.
101 Department of BioSciences, Rice University, Houston, TX, USA.
102 Department of Computer Science, Virginia Polytechnic Institute and State University, Blacksburg, VA, USA.
103 Department of Physics, Virginia Polytechnic Institute and State University, Blacksburg, VA, USA.
104 Center for Soft Matter and Biological Physics, Virginia Polytechnic Institute and State University, Blacksburg, VA, USA.
105 Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, Girona, Spain.
106 Catalan Institution for Research and Advanced Studies (ICREA), Barcelona, Spain.
107 Department of Bioengineering, University of California Riverside, Riverside, CA, USA.
108 Department of Pathology and Molecular Medicine, School of Medicine, Queen's University, Kingston, Ontario, Canada.
109 Department of Biology and Molecular Sciences, Queen's University, Kingston, Ontario, Canada.
110 School of Computing, Queen's University, Kingston, Ontario, Canada.
111 Biomolecular Simulations Group, Institut Pasteur de Montevideo, Montevideo, Uruguay.
112 Bioinformatics Area, DETEMA, Faculty of Chemistry, Udelar, Montevideo, Uruguay.
113 Department of Chemistry, Gottwald Center for the Sciences, University of Richmond, Richmond, VA, USA.
114 Atomistic Simulations, Italian Institute of Technology, Genova, Italy.
115 Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, FL, USA.
117 Facultad de Ingeniería, Universidad San Sebastián, Santiago, Chile.
118 Department of Chemistry and Biochemistry, University of Delaware, Newark, DE, USA.
119 University of Texas Medical Branch, Galveston, TX, USA.
120 Dipartimento di Scienze della Salute, Università di Catanzaro, Catanzaro, Italy.
121 Laboratory of Theoretical Chemistry, Department of Chemistry, Sorbonne University, Paris, France.
122 Biosystems and Soft Matter Division, Institute of Fundamental Technological Research, Polish Academy of Sciences, Warsaw, Poland.
123 Laboratory for Molecular Modeling, National Institute of Chemistry, Ljubljana, Slovenia.
124 Department of Physics, Faculty of Mathematics and Physics, University of Ljubljana, Ljubljana, Slovenia.
125 Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Porto, Portugal.
126 Department of Biomedical Engineering, The University of Texas at Austin, Austin, TX, USA.
127 Department of Chemistry, University of Bergen, Bergen, Norway.
128 Computational Biology Unit, Department of Informatics, University of Bergen, Bergen, Norway.
129 Department of Physics and Astronomy, University College London, London, UK.
130 Departament de Química Inorgànica i Orgànica (Secció de Química Orgànica) and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Barcelona, Spain.
131 Department of Chemistry, University of Chicago, Chicago, IL, USA.
132 Laboratory of Computational Chemistry and Biochemistry, Institute of Chemical Sciences and Engineering, Swiss Federal Institute of Technology (EPFL), Lausanne, Switzerland.
133 Theoretical Biology and Biophysics, Los Alamos National Laboratory, Los Alamos, NM, USA.
134 New Mexico Consortium, Los Alamos, NM, USA.
135 Department of Chemistry and Courant Institute of Mathematical Sciences, New York University, New York, NY, USA.
136 Simons Center for Computational Physical Chemistry, New York University, New York, NY, USA.
137 Department of Biology, Lomonosov Moscow State University, Moscow, Russia.
138 International Laboratory of Bioinformatics, AI and Digital Sciences Institute, Faculty of Computer Science, HSE University, Moscow, Russia.
139 Department of Chemistry, Stony Brook University, Stony Brook, NY, USA.
140 Biosciences Division and Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, TN, USA.
141 Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, Knoxville, TN, USA.
142 Computational Biophysics Research Team, RIKEN Center for Computational Science, Kobe, Japan.
144 Laboratory for Biomolecular Function Simulation, RIKEN Center for Biosystems Dynamics Research, Kobe, Japan.
145 Laboratory for Computational Molecular Design, RIKEN Center for Biosystems Dynamics Research, Kobe, Japan.
146 Department of Chemistry, O'Donnell Data Science and Research Computing Institute, Center for Drug Discovery, Design, and Delivery (CD4), Southern Methodist University, Dallas, TX, USA.
147 Department of Biological Sciences and Centre for Molecular Simulation, University of Calgary, Calgary, Alberta, Canada.
148 School of Pharmacy, Queen's University Belfast, Belfast, UK.
149 Departamento de Química Física, Universidad de Valencia, Burjassot, Spain.
150 School of Biochemistry, University of Bristol, Bristol, UK.
151 Department of Chemistry, Chicago Center for Theoretical Chemistry, Institute for Biophysical Dynamics, and James Franck Institute, The University of Chicago, Chicago, IL, USA.
152 Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS), Heidelberg, Germany.
153 Department of Chemistry, University of Southern California, Los Angeles, CA, USA.
154 Macromolecules Innovation Institute, Virginia Tech, Blacksburg, VA, USA.
155 Department of Chemistry and Biochemistry, University of Lethbridge, Lethbridge, Alberta, Canada.
156 R. Ken Coit College of Pharmacy, University of Arizona, Tucson, Arizona, USA.
157 Department of Chemistry and Biochemistry, University of Missouri-St. Louis, St. Louis, MO, USA.
158 Institute of Bioinformatics and Structural Biology, National Tsing Hua University, Hsinchu, Taiwan.
159 Physics Department, Technical University of Munich, Garching, Germany.
160 Department of Biochemistry and Molecular Biomedicine, University of Barcelona, Barcelona, Spain. modesto.orozco@irbbarcelona.org.
161 Institute for Research in Biomedicine (IRB Barcelona), Barcelona, Spain. modesto.orozco@irbbarcelona.org.